CID 214412

2-((cyclopropylamino)methyl)-4,5-diphenyloxazole monohydrochloride hemihydrate

Structural Information

Molecular Formula
C21H22N2O
SMILES
C1CCC(C1)NCC2=NC(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H22N2O/c1-3-9-16(10-4-1)20-21(17-11-5-2-6-12-17)24-19(23-20)15-22-18-13-7-8-14-18/h1-6,9-12,18,22H,7-8,13-15H2
InChIKey
ZFUVKFZGNDCBNK-UHFFFAOYSA-N
Compound name
N-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]cyclopentanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

318.17322 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.180496 174.0
[M+Na]+ 341.162438 179.0
[M-H]- 317.165944 185.8
[M+NH4]+ 336.207043 188.0
[M+K]+ 357.136378 174.5
[M+H-H2O]+ 301.170480 164.7
[M+HCOO]- 363.171421 196.5
[M+CH3COO]- 377.187071 184.9
[M+Na-2H]- 339.147886 175.1
[M]+ 318.17267142 171.8
[M]- 318.17376858 171.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe